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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12O8S
Molecular Weight 304.273
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (-)-5-(3',4',5'-TRIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-SULFATE

SMILES

OC1=CC(C[C@H]2CCC(=O)O2)=CC(OS(O)(=O)=O)=C1O

InChI

InChIKey=OMISYDASOKPVDK-SSDOTTSWSA-N
InChI=1S/C11H12O8S/c12-8-4-6(3-7-1-2-10(13)18-7)5-9(11(8)14)19-20(15,16)17/h4-5,7,12,14H,1-3H2,(H,15,16,17)/t7-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
(-)-5-(3',4',5'-TRIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-SULFATE
Common Name English
(R)-2,3-DIHYDROXY-5-((5-OXOTETRAHYDROFURAN-2-YL)METHYL)PHENYL HYDROGEN SULFATE
Systematic Name English
5-(3',4',5'-TRIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-SULFATE
Common Name English
Code System Code Type Description
FDA UNII
7GDC4N2CN4
Created by admin on Sat Dec 16 07:54:31 GMT 2023 , Edited by admin on Sat Dec 16 07:54:31 GMT 2023
PRIMARY
PUBCHEM
156596914
Created by admin on Sat Dec 16 07:54:31 GMT 2023 , Edited by admin on Sat Dec 16 07:54:31 GMT 2023
PRIMARY
PARENT (METABOLITE)
GREEN TEA LEAF
NIH
NCATS
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